3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid

C15H28N2O3 — CID 62964716

IUPAC3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C15H28N2O3/c1-11(2)13(17-6-4-5-7-17)10-16-14(18)8-12(3)9-15(19)20/h11-13H,4-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyRSBPDZXOOFRDIS-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.72
Rot. Bonds8

About 3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid

3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid (PubChem CID 62964716) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid
PubChem CID62964716
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C15H28N2O3/c1-11(2)13(17-6-4-5-7-17)10-16-14(18)8-12(3)9-15(19)20/h11-13H,4-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyRSBPDZXOOFRDIS-UHFFFAOYSA-N
XLogP1.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)butanamide
CID 110402825
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
CID 61276217
5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 82012268
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 61275431
N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 110402962
(3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid
CID 7318552
2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid
CID 103496866
3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-oxopropanoic acid
CID 55049690
2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobut-2-enoic acid
CID 76992850
(3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid
CID 2225388
3-(tert-butylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 61276030
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 62639167

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid (CID 62964716) is 3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NCC(C(C)C)N1CCCC1.
What is the InChIKey of 3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid?
The InChIKey is RSBPDZXOOFRDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)13(17-6-4-5-7-17)10-16-14(18)8-12(3)9-15(19)20/h11-13H,4-10H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid?
3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 62964716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).